6-Chloro-2-(4-methoxyanilino)-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Basic information
- Standard SMILES
COc1ccc(NN2C(=O)c3[nH]c4cc(Cl)ccc4c(=O)c3C2=O)cc1- InChIKey
RPOZMUUSTYCIMS-UHFFFAOYSA-N- Molecular formula
- C18H12ClN3O4
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.0516336
Names & identifiers
- Preferred name
- 6-Chloro-2-(4-methoxyanilino)-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione
- IUPAC
- 6-chloro-2-(4-methoxyanilino)-4H-pyrrolo[3,4-b]quinoline-1,3,9-trione
Names & synonyms
SCHEMBL6233199RPOZMUUSTYCIMS-UHFFFAOYSA-N6-Chloro-2-(4-methoxyanilino)-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]quinoline-1,3,9-trione6-Chloro-2-(4-methoxyanilino)-2,3,4,9-tetrahydro-1H-pyrrolo[3,4-b]-quinoline-1,3,9-trione
Database identifiers
- PubChem CID
- 21997699
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 671
Related reactions
3 records
Compound notes
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